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4-thiazolidinone, 3-cyclopentyl-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylene]-2-(phenylimino)-, (2E,5E)-
SpectraBase Compound ID 9f9E1TuC1ot
InChI InChI=1S/C22H20Br2N2O3S/c1-29-16-11-13(18(23)19(24)20(16)27)12-17-21(28)26(15-9-5-6-10-15)22(30-17)25-14-7-3-2-4-8-14/h2-4,7-8,11-12,15,27H,5-6,9-10H2,1H3/b17-12+,25-22+
InChIKey REVFAVMOCIBSCG-CCMFZTNCSA-N
Mol Weight 552.28 g/mol
Molecular Formula C22H20Br2N2O3S
Exact Mass 549.95614 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 89OzKaJNU89
Name 4-thiazolidinone, 3-cyclopentyl-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylene]-2-(phenylimino)-, (2E,5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.956139683 u
Formula C22H20Br2N2O3S
InChI InChI=1S/C22H20Br2N2O3S/c1-29-16-11-13(18(23)19(24)20(16)27)12-17-21(28)26(15-9-5-6-10-15)22(30-17)25-14-7-3-2-4-8-14/h2-4,7-8,11-12,15,27H,5-6,9-10H2,1H3/b17-12+,25-22+
InChIKey REVFAVMOCIBSCG-CCMFZTNCSA-N
Molecular Weight 552.281 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_440
Solvent DMSO-d6
Source Vendor ID: ZI/8061905; Lab Info: LD; Lab Number: LD-1300794
Temperature 29.85 °C